CID 63429

4(1h)-quinazolinone, 2,3-dihydro-3-(p-bromophenyl)-1-(morpholinoacetyl)-, hydrochloride

Structural Information

Molecular Formula
C20H20BrN3O3
SMILES
C1COCCN1CC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H20BrN3O3/c21-15-5-7-16(8-6-15)23-14-24(18-4-2-1-3-17(18)20(23)26)19(25)13-22-9-11-27-12-10-22/h1-8H,9-14H2
InChIKey
XHHWATCCJDICRT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(2-morpholin-4-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.0688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.07608 194.8
[M+Na]+ 452.05802 202.1
[M-H]- 428.06152 202.7
[M+NH4]+ 447.10262 203.3
[M+K]+ 468.03196 191.2
[M+H-H2O]+ 412.06606 190.2
[M+HCOO]- 474.06700 203.8
[M+CH3COO]- 488.08265 203.8
[M+Na-2H]- 450.04347 197.2
[M]+ 429.06825 209.2
[M]- 429.06935 209.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.